SCHEMBL15969573

SCHEMBL15969573

NC(=O)C1=C(C(N)=O)C(Cc2ccc(Cl)cc2)Cc2ccc(O)cc21

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.42
CYP26A1 O43174 5/20 0.41
ESR1 P03372 6/20 0.39
ESR2 Q92731 6/20 0.39
TSHR P16473 1/20 0.37
CYP11B2 P19099 1/20 0.35
MAOB P27338 1/20 0.35
MEN1 O00255 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15969572 0.93 CYP19A1 (0.49) CYP19A1CYP26A1ESR1ESR2TSHR
SCHEMBL15970366 0.86 CYP19A1 (0.56) CYP19A1CYP26A1ESR1ESR2CYP11B2
SCHEMBL15969586 0.80 CYP19A1 (0.67) CYP19A1CYP26A1TSHRCYP11B2MEN1
SCHEMBL15969815 0.76 MTNR1A (0.39) CYP19A1ESR1ESR2TSHRMEN1
SCHEMBL21478277 0.72 CYP26A1 (0.39) CYP19A1CYP26A1GAA
SCHEMBL21474683 0.69 MAOB (0.40) TSHRMAOBMEN1KMT2A
SCHEMBL8466193 0.66 CYP19A1 (0.60) CYP19A1CYP26A1MAOB
SCHEMBL21478254 0.66 MAOB (0.39) TSHRMAOBMEN1KMT2A
SCHEMBL21474591 0.64 ACHE (0.38) MAOBMEN1KMT2A
SCHEMBL20809838 0.63 CYP19A1 (0.68) CYP19A1CYP26A1ESR2TSHRMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 CYP19A1 739/4885CYP26A1 1041/4885ESR1 4088/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.